1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

C22H20N4O — CID 137375532

IUPAC1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C22H20N4O/c1-14-8-9-15(2)20(12-14)26-16(3)18(13-23-26)22(27)25-21-11-10-17-6-4-5-7-19(17)24-21/h4-13H,1-3H3,(H,24,25,27)
InChIKeyNDDOCIPCSPAWPC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.60
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375532) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375532
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C22H20N4O/c1-14-8-9-15(2)20(12-14)26-16(3)18(13-23-26)22(27)25-21-11-10-17-6-4-5-7-19(17)24-21/h4-13H,1-3H3,(H,24,25,27)
InChIKeyNDDOCIPCSPAWPC-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375532) is 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4ccccc4n3)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is NDDOCIPCSPAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-8-9-15(2)20(12-14)26-16(3)18(13-23-26)22(27)25-21-11-10-17-6-4-5-7-19(17)24-21/h4-13H,1-3H3,(H,24,25,27).
What are the key properties of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).